CID 54691072

Nsc647429

Structural Information

Molecular Formula
C26H29NO4
SMILES
CC1CCN(CC1)CCC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C26H29NO4/c1-18-11-14-27(15-12-18)16-13-20(28)17-22(19-7-3-2-4-8-19)24-25(29)21-9-5-6-10-23(21)31-26(24)30/h2-10,18,22,29H,11-17H2,1H3
InChIKey
KVSDYLTUWJAGOT-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[5-(4-methylpiperidin-1-yl)-3-oxo-1-phenylpentyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.21694 203.4
[M+Na]+ 442.19888 206.9
[M-H]- 418.20238 210.5
[M+NH4]+ 437.24348 210.0
[M+K]+ 458.17282 202.4
[M+H-H2O]+ 402.20692 192.1
[M+HCOO]- 464.20786 215.4
[M+CH3COO]- 478.22351 226.5
[M+Na-2H]- 440.18433 202.6
[M]+ 419.20911 201.9
[M]- 419.21021 201.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.